[Wien] lapw1.error in atomic energy calculation
lin zhou
mmdmm1977 at yahoo.com.cn
Fri Oct 15 09:49:41 CEST 2004
Dear Andersen:
Thanks for your reply. could you tell me when calculate atomic energies (Ni for example)with FLAPW, how should we produce the correct struct file? I have no idea.
thanks in advance
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